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Application Note

Fully automated high-throughput fragment screening on X-Pulse

Fragment-based drug design (FBDD) revolutionized drug discovery by providing a bottom-up approach to identifying and evolving bioactive small molecules into drug candidates. FBDD resulted in 7 FDA-approved drugs and over 50 clinical trials. NMR spectroscopy is the gold standard method for fragment screening, i.e. identifying the interaction of a protein with small molecules of molecular mass below 300 g/mol. Until recently, NMR fragment screening required a high-field NMR spectrometer, but recent developments by NexMR enable screening fragment libraries on a cryogen free benchtop NMR spectrometer, such as the X-Pulse.

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Fully automated high-throughput fragment screening on X-Pulse

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